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Compile Data Set for Download or QSAR

Found 619 hits with Last Name = 'boros' and Initial = 's'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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 0.470n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat corpus striatum by using radioligand [3H]-sulpiride

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES [#6]-c1nc2sccn2c(=O)c1-[#6]-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](\c1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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 0.820n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50046475
PNG
(4-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadec...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:11:12:17.18.19:15.14,THB:20:18:12:15.14,26:17:12:15.14|
Show InChI InChI=1S/C23H23FN2O/c24-16-9-7-15(8-10-16)22(27)6-3-13-26-17-11-12-21(26)23-18-4-1-2-5-19(18)25-20(23)14-17/h1-2,4-5,7-10,17,21,25H,3,6,11-14H2
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 0.820n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50047457
PNG
(4-[9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCCC1c1c(C2)[nH]c2ccccc12 |TLB:11:12:18.19.20:16.14.15,THB:21:19:12:16.14.15,27:18:12:16.14.15|
Show InChI InChI=1S/C24H25FN2O/c25-17-12-10-16(11-13-17)23(28)9-4-14-27-18-5-3-8-22(27)24-19-6-1-2-7-20(19)26-21(24)15-18/h1-2,6-7,10-13,18,22,26H,3-5,8-9,14-15H2
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 0.850n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50299799
PNG
(4-(4,5-difluoro-2-(4-fluorophenoxy)phenyl)piperidi...)
Show SMILES Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H16F3NO/c18-12-1-3-13(4-2-12)22-17-10-16(20)15(19)9-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
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 1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299799
PNG
(4-(4,5-difluoro-2-(4-fluorophenoxy)phenyl)piperidi...)
Show SMILES Fc1ccc(Oc2cc(F)c(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H16F3NO/c18-12-1-3-13(4-2-12)22-17-10-16(20)15(19)9-14(17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2
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 1n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50047436
PNG
(8-[4-(4-Fluoro-phenyl)-4-oxo-butyl]-8-aza-bicyclo[...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1CC(=O)C2 |THB:19:18:12:14.15|
Show InChI InChI=1S/C17H20FNO2/c18-13-5-3-12(4-6-13)17(21)2-1-9-19-14-7-8-15(19)11-16(20)10-14/h3-6,14-15H,1-2,7-11H2
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 1.30n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat corpus striatum by using radioligand [3H]-sulpiride

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50036648
PNG
((7R,10S)-4-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12 |TLB:11:12:17.18.19:15.14,THB:27:17:12:15.14,20:18:12:15.14|
Show InChI InChI=1S/C23H22F2N2O/c24-15-5-3-14(4-6-15)22(28)2-1-11-27-17-8-10-21(27)23-18-12-16(25)7-9-19(18)26-20(23)13-17/h3-7,9,12,17,21,26H,1-2,8,10-11,13H2
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 1.80n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50299800
PNG
(4-(2-(3,4-dichlorobenzyloxy)-5-fluorophenyl)piperi...)
Show SMILES Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
Show InChI InChI=1S/C18H18Cl2FNO/c19-16-3-1-12(9-17(16)20)11-23-18-4-2-14(21)10-15(18)13-5-7-22-8-6-13/h1-4,9-10,13,22H,5-8,11H2
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 2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50299789
PNG
(4-(5-fluoro-2-(4-fluorobenzyloxy)phenyl)piperidine...)
Show SMILES Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C18H19F2NO/c19-15-3-1-13(2-4-15)12-22-18-6-5-16(20)11-17(18)14-7-9-21-10-8-14/h1-6,11,14,21H,7-10,12H2
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 2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299789
PNG
(4-(5-fluoro-2-(4-fluorobenzyloxy)phenyl)piperidine...)
Show SMILES Fc1ccc(COc2ccc(F)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C18H19F2NO/c19-15-3-1-13(2-4-15)12-22-18-6-5-16(20)11-17(18)14-7-9-21-10-8-14/h1-6,11,14,21H,7-10,12H2
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 2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50299801
PNG
(4-(2-(3-fluorophenoxy)-4-methylphenyl)piperidine |...)
Show SMILES Cc1ccc(C2CCNCC2)c(Oc2cccc(F)c2)c1
Show InChI InChI=1S/C18H20FNO/c1-13-5-6-17(14-7-9-20-10-8-14)18(11-13)21-16-4-2-3-15(19)12-16/h2-6,11-12,14,20H,7-10H2,1H3
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 2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50036649
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...)
Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1 |TLB:9:10:15.16.17:13.12,THB:25:15:10:13.12,18:16:10:13.12|
Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2
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 2.70n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat corpus striatum by using radioligand [3H]-sulpiride

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50047445
PNG
(1-(4-fluorophenyl)-4-[9-methyl-9,15-diazatetracycl...)
Show SMILES Cn1c2CC3CCC(N3CCCC(=O)c3ccc(F)cc3)c2c2ccccc12 |TLB:9:8:21.2.3:6.5,1:2:8:6.5,22:21:8:6.5|
Show InChI InChI=1S/C24H25FN2O/c1-26-20-6-3-2-5-19(20)24-21-13-12-18(15-22(24)26)27(21)14-4-7-23(28)16-8-10-17(25)11-9-16/h2-3,5-6,8-11,18,21H,4,7,12-15H2,1H3
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 2.80n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50036647
PNG
((7R,10S)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:12:13:18.19.20:16.15,THB:21:19:13:16.15,27:18:13:16.15|
Show InChI InChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2
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 2.80n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50047442
PNG
(5-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc2[nH]c3CC4CCC(N4CCCCC(=O)c4ccccc4)c3c2c1 |TLB:13:12:25.6.7:10.9,26:25:12:10.9,5:6:12:10.9|
Show InChI InChI=1S/C24H25FN2O/c25-17-9-11-20-19(14-17)24-21(26-20)15-18-10-12-22(24)27(18)13-5-4-8-23(28)16-6-2-1-3-7-16/h1-3,6-7,9,11,14,18,22,26H,4-5,8,10,12-13,15H2
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 2.80n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat corpus striatum by using radioligand [3H]-sulpiride

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50047446
PNG
(4-{5-fluoro-9,16-diazatetracyclo[10.3.1.0^{2,10}.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CCCC1c1c(C2)[nH]c2ccc(F)cc12 |TLB:11:12:18.19.20:16.14.15,THB:28:18:12:16.14.15,21:19:12:16.14.15|
Show InChI InChI=1S/C24H24F2N2O/c25-16-8-6-15(7-9-16)23(29)5-2-12-28-18-3-1-4-22(28)24-19-13-17(26)10-11-20(19)27-21(24)14-18/h6-11,13,18,22,27H,1-5,12,14H2
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 2.80n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299796
PNG
(4-(2-(2-fluoro-5-methylphenoxy)phenyl)piperidine |...)
Show SMILES Cc1ccc(F)c(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C18H20FNO/c1-13-6-7-16(19)18(12-13)21-17-5-3-2-4-15(17)14-8-10-20-11-9-14/h2-7,12,14,20H,8-11H2,1H3
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 3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50047442
PNG
(5-[5-fluoro-9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc2[nH]c3CC4CCC(N4CCCCC(=O)c4ccccc4)c3c2c1 |TLB:13:12:25.6.7:10.9,26:25:12:10.9,5:6:12:10.9|
Show InChI InChI=1S/C24H25FN2O/c25-17-9-11-20-19(14-17)24-21(26-20)15-18-10-12-22(24)27(18)13-5-4-8-23(28)16-6-2-1-3-7-16/h1-3,6-7,9,11,14,18,22,26H,4-5,8,10,12-13,15H2
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 3n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50299787
PNG
(4-(2,4-difluorophenyl)-2-(2-(piperazin-1-yl)benzyl...)
Show SMILES Fc1ccc(N2CCS\C(=C/c3ccccc3N3CCNCC3)C2=O)c(F)c1
Show InChI InChI=1S/C21H21F2N3OS/c22-16-5-6-19(17(23)14-16)26-11-12-28-20(21(26)27)13-15-3-1-2-4-18(15)25-9-7-24-8-10-25/h1-6,13-14,24H,7-12H2/b20-13-
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 4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))		BDBM50036647
PNG
((7R,10S)-5-[9,15-diazatetracyclo[10.2.1.02,10.03,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccccc12 |TLB:12:13:18.19.20:16.15,THB:21:19:13:16.15,27:18:13:16.15|
Show InChI InChI=1S/C24H25FN2O/c25-17-10-8-16(9-11-17)23(28)7-3-4-14-27-18-12-13-22(27)24-19-5-1-2-6-20(19)26-21(24)15-18/h1-2,5-6,8-11,18,22,26H,3-4,7,12-15H2
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 4.40n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against dopamine receptor D2 from rat corpus striatum by using radioligand [3H]-sulpiride

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50299798
PNG
(4-(2-(3-chlorophenoxy)phenyl)piperidine | CHEMBL57...)
Show SMILES Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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 5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299802
PNG
(4-(3,4-dichlorophenyl)-2-(2-(piperazin-1-yl)benzyl...)
Show SMILES Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c22-17-6-5-16(14-18(17)23)26-11-12-28-20(21(26)27)13-15-3-1-2-4-19(15)25-9-7-24-8-10-25/h1-6,14,20,24H,7-13H2
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 5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50277145
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(C)(C)Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C23H31N5/c1-23(2,3)27-22-24-12-10-20(26-22)18-7-6-13-28(16-18)14-11-17-15-25-21-9-5-4-8-19(17)21/h4-5,8-10,12,15,18,25H,6-7,11,13-14,16H2,1-3H3,(H,24,26,27)
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 5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor

Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299803
PNG
(4-(5-chloro-2-(4-fluorobenzyloxy)phenyl)piperidine...)
Show SMILES Fc1ccc(COc2ccc(Cl)cc2C2CCNCC2)cc1
Show InChI InChI=1S/C18H19ClFNO/c19-15-3-6-18(17(11-15)14-7-9-21-10-8-14)22-12-13-1-4-16(20)5-2-13/h1-6,11,14,21H,7-10,12H2
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 6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50299804
PNG
(4-(2-fluoro-6-(4-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1ccc(Oc2cccc(F)c2C2CCNCC2)cc1
Show InChI InChI=1S/C17H17F2NO/c18-13-4-6-14(7-5-13)21-16-3-1-2-15(19)17(16)12-8-10-20-11-9-12/h1-7,12,20H,8-11H2
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 6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50047440
PNG
(4-[9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadec...)
Show SMILES O=C(CCCN1C2CCC1c1c(C2)[nH]c2ccccc12)c1ccccc1 |TLB:4:5:10.11.12:8.7,THB:13:11:5:8.7,19:10:5:8.7|
Show InChI InChI=1S/C23H24N2O/c26-22(16-7-2-1-3-8-16)11-6-14-25-17-12-13-21(25)23-18-9-4-5-10-19(18)24-20(23)15-17/h1-5,7-10,17,21,24H,6,11-15H2
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 6.60n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50277131
PNG
((+/-)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)...)
Show SMILES CC(Nc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1)C1CC1
Show InChI InChI=1S/C24H31N5/c1-17(18-8-9-18)27-24-25-12-10-22(28-24)20-5-4-13-29(16-20)14-11-19-15-26-23-7-3-2-6-21(19)23/h2-3,6-7,10,12,15,17-18,20,26H,4-5,8-9,11,13-14,16H2,1H3,(H,25,27,28)
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 7.40n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor

Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50036649
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-4-[5-fl...)
Show SMILES Fc1ccc2c(CCCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1 |TLB:9:10:15.16.17:13.12,THB:25:15:10:13.12,18:16:10:13.12|
Show InChI InChI=1S/C24H23F2N3O/c25-14-5-8-19-18(11-14)24-21(27-19)13-16-6-9-22(24)29(16)10-2-1-3-20-17-7-4-15(26)12-23(17)30-28-20/h4-5,7-8,11-12,16,22,27H,1-3,6,9-10,13H2
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 8n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50299793
PNG
(1-(2-(4-fluorophenoxy)phenyl)piperazine | CHEMBL57...)
Show SMILES Fc1ccc(Oc2ccccc2N2CCNCC2)cc1
Show InChI InChI=1S/C16H17FN2O/c17-13-5-7-14(8-6-13)20-16-4-2-1-3-15(16)19-11-9-18-10-12-19/h1-8,18H,9-12H2
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 8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50036651
PNG
((7R,10S)-1-(6-fluorobenzo[d]isoxazol-3-yl)-3-[5-fl...)
Show SMILES Fc1ccc2c(CCCN3C4CCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1 |TLB:8:9:14.15.16:12.11,THB:24:14:9:12.11,17:15:9:12.11|
Show InChI InChI=1S/C23H21F2N3O/c24-13-4-7-18-17(10-13)23-20(26-18)12-15-5-8-21(23)28(15)9-1-2-19-16-6-3-14(25)11-22(16)29-27-19/h3-4,6-7,10-11,15,21,26H,1-2,5,8-9,12H2
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 8.5n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50299802
PNG
(4-(3,4-dichlorophenyl)-2-(2-(piperazin-1-yl)benzyl...)
Show SMILES Clc1ccc(cc1Cl)N1CCSC(Cc2ccccc2N2CCNCC2)C1=O
Show InChI InChI=1S/C21H23Cl2N3OS/c22-17-6-5-16(14-18(17)23)26-11-12-28-20(21(26)27)13-15-3-1-2-4-19(15)25-9-7-24-8-10-25/h1-6,14,20,24H,7-13H2
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 9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299795
PNG
(4-(2-(benzyloxy)-6-fluorophenyl)piperidine | CHEMB...)
Show SMILES Fc1cccc(OCc2ccccc2)c1C1CCNCC1
Show InChI InChI=1S/C18H20FNO/c19-16-7-4-8-17(18(16)15-9-11-20-12-10-15)21-13-14-5-2-1-3-6-14/h1-8,15,20H,9-13H2
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 9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299786
PNG
(4-(2-(benzyloxy)-3-fluorophenyl)piperidine | CHEMB...)
Show SMILES Fc1cccc(C2CCNCC2)c1OCc1ccccc1
Show InChI InChI=1S/C18H20FNO/c19-17-8-4-7-16(15-9-11-20-12-10-15)18(17)21-13-14-5-2-1-3-6-14/h1-8,15,20H,9-13H2
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 9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50299805
PNG
(1-(2-(3-fluorophenoxy)phenyl)piperazine | CHEMBL57...)
Show SMILES Fc1cccc(Oc2ccccc2N2CCNCC2)c1
Show InChI InChI=1S/C16H17FN2O/c17-13-4-3-5-14(12-13)20-16-7-2-1-6-15(16)19-10-8-18-9-11-19/h1-7,12,18H,8-11H2
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 9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50277180
PNG
(4-(1-(2-(5-chloro-1H-indol-3-yl)ethyl)piperidin-3-...)
Show SMILES Clc1ccc2[nH]cc(CCN3CCCC(C3)c3ccnc(NC4CC4)n3)c2c1
Show InChI InChI=1S/C22H26ClN5/c23-17-3-6-21-19(12-17)15(13-25-21)8-11-28-10-1-2-16(14-28)20-7-9-24-22(27-20)26-18-4-5-18/h3,6-7,9,12-13,16,18,25H,1-2,4-5,8,10-11,14H2,(H,24,26,27)
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 10.4n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor

Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50299788
PNG
(4-(2-(3-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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 11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299788
PNG
(4-(2-(3-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18FNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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 11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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 11.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor

Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50277146
PNG
((+)-4-(1-(2-(1H-indol-3-yl)ethyl)piperidin-3-yl)-N...)
Show SMILES CCCNc1nccc(n1)C1CCCN(CCc2c[nH]c3ccccc23)C1
Show InChI InChI=1S/C22H29N5/c1-2-11-23-22-24-12-9-20(26-22)18-6-5-13-27(16-18)14-10-17-15-25-21-8-4-3-7-19(17)21/h3-4,7-9,12,15,18,25H,2,5-6,10-11,13-14,16H2,1H3,(H,23,24,26)
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 11.2n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor

Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50047437
PNG
(1-(6-fluorobenzo[d]isoxazol-3-yl)-3-[5-fluoro-9,16...)
Show SMILES Fc1ccc2c(CCCN3C4CCCC3c3c(C4)[nH]c4ccc(F)cc34)noc2c1 |TLB:8:9:15.16.17:13.11.12,THB:25:15:9:13.11.12,18:16:9:13.11.12|
Show InChI InChI=1S/C24H23F2N3O/c25-14-7-9-19-18(11-14)24-21(27-19)13-16-3-1-5-22(24)29(16)10-2-4-20-17-8-6-15(26)12-23(17)30-28-20/h6-9,11-12,16,22,27H,1-5,10,13H2
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 13n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))		BDBM50299806
PNG
(4-(2-(4-fluorophenoxy)phenyl)piperidine | CHEMBL58...)
Show SMILES Fc1ccc(Oc2ccccc2C2CCNCC2)cc1
Show InChI InChI=1S/C17H18FNO/c18-14-5-7-15(8-6-14)20-17-4-2-1-3-16(17)13-9-11-19-12-10-13/h1-8,13,19H,9-12H2
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 13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299798
PNG
(4-(2-(3-chlorophenoxy)phenyl)piperidine | CHEMBL57...)
Show SMILES Clc1cccc(Oc2ccccc2C2CCNCC2)c1
Show InChI InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
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 13n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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 15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor

Bioorg Med Chem Lett 19: 1159-63 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.087
BindingDB Entry DOI: 10.7270/Q29886VW
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50036650
PNG
((7R,10S)-5-[5-fluoro-9,15-diazatetracyclo[10.2.1.0...)
Show SMILES Fc1ccc(cc1)C(=O)CCCCN1C2CCC1c1c(C2)[nH]c2ccc(F)cc12 |TLB:12:13:18.19.20:16.15,THB:28:18:13:16.15,21:19:13:16.15|
Show InChI InChI=1S/C24H24F2N2O/c25-16-6-4-15(5-7-16)23(29)3-1-2-12-28-18-9-11-22(28)24-19-13-17(26)8-10-20(19)27-21(24)14-18/h4-8,10,13,18,22,27H,1-3,9,11-12,14H2
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 16n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))		BDBM50299807
PNG
(1-(2-((3-fluorophenoxy)methyl)phenyl)piperazine | ...)
Show SMILES Fc1cccc(OCc2ccccc2N2CCNCC2)c1
Show InChI InChI=1S/C17H19FN2O/c18-15-5-3-6-16(12-15)21-13-14-4-1-2-7-17(14)20-10-8-19-9-11-20/h1-7,12,19H,8-11,13H2
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 17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299783
PNG
(4-(2-fluoro-6-(3-fluorophenoxy)phenyl)piperidine |...)
Show SMILES Fc1cccc(Oc2cccc(F)c2C2CCNCC2)c1
Show InChI InChI=1S/C17H17F2NO/c18-13-3-1-4-14(11-13)21-16-6-2-5-15(19)17(16)12-7-9-20-10-8-12/h1-6,11-12,20H,7-10H2
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 18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))		BDBM50299800
PNG
(4-(2-(3,4-dichlorobenzyloxy)-5-fluorophenyl)piperi...)
Show SMILES Fc1ccc(OCc2ccc(Cl)c(Cl)c2)c(c1)C1CCNCC1
Show InChI InChI=1S/C18H18Cl2FNO/c19-16-3-1-12(9-17(16)20)11-23-18-4-2-14(21)10-15(18)13-5-7-22-8-6-13/h1-4,9-10,13,22H,5-8,11H2
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 20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))		BDBM50299792
PNG
(4-(3-fluoro-2-phenoxyphenyl)piperidine | CHEMBL583...)
Show SMILES Fc1cccc(C2CCNCC2)c1Oc1ccccc1
Show InChI InChI=1S/C17H18FNO/c18-16-8-4-7-15(13-9-11-19-12-10-13)17(16)20-14-5-2-1-3-6-14/h1-8,13,19H,9-12H2
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 20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells

Bioorg Med Chem Lett 19: 6604-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.014
BindingDB Entry DOI: 10.7270/Q23B606Z
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A/2B/2C


(Mus musculus (Mouse))		BDBM50047449
PNG
(5-[9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca...)
Show SMILES O=C(CCCCN1C2CCCC1c1c(C2)[nH]c2ccccc12)c1ccccc1 |TLB:5:6:12.13.14:10.8.9,THB:15:13:6:10.8.9,21:12:6:10.8.9|
Show InChI InChI=1S/C25H28N2O/c28-24(18-9-2-1-3-10-18)15-6-7-16-27-19-11-8-14-23(27)25-20-12-4-5-13-21(20)26-22(25)17-19/h1-5,9-10,12-13,19,23,26H,6-8,11,14-17H2
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 21n/an/an/an/an/an/an/an/a



Scios Nova Inc.

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 2 receptor from rat cortical synaptosomal membrane using radioligand [3H]ketanserin.

J Med Chem 36: 1488-95 (1993)


BindingDB Entry DOI: 10.7270/Q2KD1X0K
More data for this
Ligand-Target Pair
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